Structure of IDP90513

Co-crystal Structure of 3-hydroxydecanoyl-(acyl carrier protein) Dehydratase from Yersinia pestis with 5-Benzoylpentanoic Acid

Edit deposit information
CSGID target
IDP90513 
PDB Id
5F6R (NCBI MMDB
Authors
N.Maltseva,Y.Kim,R.Zhang,K.Kwon,W.F.Anderson,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Natalia Maltseva 
Responsible lab
Argonne National Laboratory 
Deposition Date
Dec 06, 2015 
Release Date
Dec 23, 2015 

Annotation

Ligands

Ligand code Name Ligand type
bpa unknown crystallization
PO4 PHOSPHATE ION crystallization
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=52.98Å, b=54.88Å, c=102.87Å
α=90.00, β=90.00, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
25.65-1.18Å (1.19-1.18Å)  
Rall(%)
13.9 
Rwork(%)
13.8 (18.6) 
Rfree(%)
16.0 (19.2) 
Num. observed reflections
102823 (2562) 
Num. Rfree reflections
5028 (153) 
Completeness(%)
98.5 (78.0) 

Model parameters

Num Atoms
2951  
Num Waters
391  
Num Hetatoms
396  
Model mean isotropic B factor
14.400Å2  
RMSD bond length
0.016Å  
RMSD bond angle
1.449°  
RMSD dihedral angle
17.282°
 
Filename uploaded
dep.pdb (uploaded on Jan 04, 2016 11:24 AM)  
Inserted
Jan 04, 2016